1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide

C17H19NO2 — CID 115280798

IUPAC1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc2ccccc2c1O)C(C)C
InChIInChI=1S/C17H19NO2/c1-4-11-18(12(2)3)17(20)15-10-9-13-7-5-6-8-14(13)16(15)19/h4-10,12,19H,1,11H2,2-3H3
InChIKeyBXJULQITQRSZKW-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.58
Rot. Bonds4

About 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide

1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide (PubChem CID 115280798) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
PubChem CID115280798
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc2ccccc2c1O)C(C)C
InChIInChI=1S/C17H19NO2/c1-4-11-18(12(2)3)17(20)15-10-9-13-7-5-6-8-14(13)16(15)19/h4-10,12,19H,1,11H2,2-3H3
InChIKeyBXJULQITQRSZKW-UHFFFAOYSA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide (CID 115280798) is 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide is C=CCN(C(=O)c1ccc2ccccc2c1O)C(C)C.
What is the InChIKey of 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide?
The InChIKey is BXJULQITQRSZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-11-18(12(2)3)17(20)15-10-9-13-7-5-6-8-14(13)16(15)19/h4-10,12,19H,1,11H2,2-3H3.
What are the key properties of 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide?
1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide is sourced from PubChem (CID 115280798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).